1-(4-fluoranyl-2-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-(4-fluoranyl-2-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-fluoro-2-methyl-phenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-fluoro-2-methylphenyl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-fluoro-2-methylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-fluoro-2-methyl-phenyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C18H16FN5O2S2 MolecularWeight: 417.480343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C18H16FN5O2S2/c1-12-11-13(19)3-8-16(12)23-18(27)22-14-4-6-15(7-5-14)28(25,26)24-17-20-9-2-10-21-17/h2-11H,1H3,(H,20,21,24)(H2,22,23,27)